For the first time, the elastic, inelastic and total differential cross sections for collision between He atom and the ground state of BH molecule have been calculated by using accepted exact close-coupling approximation method. The calculation is performed at the incident energies from 25 to 150 meV. Further, the change tendency and characteristics of the differential cross sections have been discussed. The calculated results show that the total differential cross section is the general rule and characteristics of collision between an atom and a diatomic molecule, the phenomenon of the scattering oscillation at large angles is more evident along with increase of the incident energy for low-lying rotational excitation state-to-state differential cross sections in He-BH collision system.

The total differential cross section, elastic differential cross section and inelastic differential cross section for collision between He isotopic atoms and NO molecule have been calculated by using close-coupling approximation method. The influence of He isotope on the differential cross section for He-NO collision system has been given. The calculated result shows that the total differential cross section at 0 degree increases, and rainbow phenomenon of collision of He isotopic atoms with NO molecule is more evident along with increase of incident He isotope mass at identical incident energy. At the same time, the effect of increased reduced mass is larger than the effect of diminished relative velocity of collision between He atom and NO molecule, and enables the scattering spacing of the oscillation to gradually decrease.

Close-coupling method was applied to the 3He（4He,5He）-H2 system, and the second vibrational excitation cross sections of “00-20，00-22，00-24，00-26” at different incident energies have been calculated．By analysing the differences of these partial wave cross sections, the change rules of how the partial wave cross sections change with the mass of isotope atom and the relative kinetic energy of incident atoms are obtained.

The interaction potential surfaces of He-H2(D2, T2)have been calculated by employing supermolecule method and the single and double excitation coupled-cluster with a noniterative perturbation treatment of triple excitation CCSD(T) approach using a large basis set containing the atomic centre Gaussian function and the 3s3p2d1f key function when the key-lengths of H2 was different. The vib-rotational interaction potentials of He-H2(D2, T2)system were fitted using the Tang-Toennies potential function and nonlinear least square method in a center of mass coordinate system. The partial wave cross sections at the energies of 60,90 and 120 meV have been calculated by using the quantum close-coupling method. On the basis of the above results, the change rules of the partial wave cross sections with change of quantum number have been obtained. Furthermore, corresponding connection and scattering characteristics of partial wave cross sections and scattering parameter were discussed in combination with classical collision theory.

The interaction potentials of the He-HF（DF,TF） van der Waals complexes have been obtained by center of mass transformation and then employing Murrell-Sorbie potential function to fit the accurate interaction energy data, which have been computed at symmetry-adapted perturbation theory （SAPT） level. The close coupling calculation of the partial cross sections for collision of He with HF（DF,TF） is performed by employing the fitted interaction potential. This calculation is performed for incident energies from 30 meV to 120 meV, and the information of the elastic, inelastic and total partial cross sections has been obtained. Further, the change tendency and character of the partial cross sections are discussed, and the ranges of effective interaction of the beginning of elastic and inelastic scattering have been determined for He-HF（DF,TF）collision system.